N-(5-bromanyl-4,6-dimethyl-3-nitro-pyridin-2-yl)-2-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide

Systemtic Name: N-(5-bromanyl-4,6-dimethyl-3-nitro-pyridin-2-yl)-2-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide Openeye Name: N-(5-bromo-4,6-dimethyl-3-nitro-2-pyridyl)-2-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide CAS Name: N-(5-bromo-4,6-dimethyl-3-nitro-2-pyridinyl)-2-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide IUPAC Name: N-(5-bromo-4,6-dimethyl-3-nitropyridin-2-yl)-2-[[4-(2-cyanophenyl)phenyl]methyl]pentanamide Traditional Name: N-(5-bromo-4,6-dimethyl-3-nitro-2-pyridyl)-2-[4-(2-cyanophenyl)benzyl]valeramide Formula: C26H25BrN4O3 MolecularWeight: 521.4057

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=NC(=C(C(=C3[N+](=O)[O-])C)Br)C

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=NC(=C(C(=C3[N+](=O)[O-])C)Br)C

InChI

InChI=1S/C26H25BrN4O3/c1-4-7-20(26(32)30-25-24(31(33)34)16(2)23(27)17(3)29-25)14-18-10-12-19(13-11-18)22-9-6-5-8-21(22)15-28/h5-6,8-13,20H,4,7,14H2,1-3H3,(H,29,30,32)